Pentaeritritol tetranitrat Sadržaj/Садржај Osobine | Reference | Literatura | Spoljašnje veze | Navigacijski meni78-11-565186271CHEMBL466659Slika 1"PubChem as a public resource for drug discovery."2097051910.1016/j.drudis.2010.10.003edit10.1016/S1574-1400(08)00012-1"Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining"2033184610.1186/1758-2946-2-3edit2194859410.1093/nar/gkr777edit"Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods"10.1021/jp980230o"Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices"1174957310.1021/ci000392t"Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties"1102028610.1021/jm000942eOrganic chemistryAdvanced Organic Chemistry: Reactions, Mechanisms, and StructurePentaerythritol tetranitrate
Nitro jedinjenjaAlkil nitratiEksplozivne hemikalije
standardno stanje (25 °C, 100 kPa)organsko jedinjenjeatomaugljenikamolekulsku masuDa
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Pentaeritritol tetranitrat
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| Pentaeritritol tetranitrat | |||
|---|---|---|---|
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| Identifikacija | |||
CAS registarski broj | 78-11-5  Y | ||
PubChem[1][2] | 6518 | ||
ChemSpider[3] | 6271 Y | ||
ChEMBL[4] | CHEMBL466659 Y | ||
Jmol-3D slike | Slika 1 | ||
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| Svojstva | |||
Molekulska formula | C5H8N4O12 | ||
Molarna masa | 316.14 g mol−1 | ||
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Infobox references | |||
Pentaeritritol tetranitrat je organsko jedinjenje, koje sadrži 5 atoma ugljenika i ima molekulsku masu od 316,137 Da.
Sadržaj/Садржај
1 Osobine
2 Reference
3 Literatura
4 Spoljašnje veze
Osobine |
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 12 |
| Broj donora vodonika | 0 |
| Broj rotacionih veza | 12 |
Particioni koeficijent[5] (ALogP) | 7,5 |
Rastvorljivost[6] (logS, log(mol/L)) | -4,7 |
Polarna površina[7] (PSA, Å2) | 220,2 |
Reference |
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery.". Drug Discov Today 15 (23-24): 1052–7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4: 217–241. doi:10.1016/S1574-1400(08)00012-1.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). "Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining". J Cheminform 2 (1): 3. PMID 20331846. doi:10.1186/1758-2946-2-3.
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). "ChEMBL: a large-scale bioactivity database for drug discovery". Nucleic Acids Res 40 (Database issue): D1100–7. PMID 21948594. doi:10.1093/nar/gkr777.
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods". J. Phys. Chem. A 102: 3762–3772. doi:10.1021/jp980230o.
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices". Chem Inf. Comput. Sci. 41: 1488–1493. PMID 11749573. doi:10.1021/ci000392t.
↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties". J. Med. Chem. 43: 3714–3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura |
Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. http://www.organic-chemistry.org/books/reviews/0198503466.shtm.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. http://books.google.com/books?id=JDR-nZpojeEC&printsec=frontcover.
Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.
Spoljašnje veze |
Pentaeritritol tetranitrat na Wikimedijinoj ostavi
- Pentaerythritol tetranitrate
Kategorije:
- Nitro jedinjenja
- Alkil nitrati
- Eksplozivne hemikalije
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